A computational method combining generative AI with atomistic simulations can identify promising platinum alloy catalyst structures for hydrogen fuel cells, report researchers from Science Tokyo.

In a recent article, researchers from the University of Jyväskylä, Finland, emphasize the importance of multiscale modeling of catalysis in understanding and developing (electro)chemical processes.

CoCoGraph uses a diffusion model, a technique common in image generation, to generate realistic molecules for therapeutics ...

AI expands chemistry: Researchers in Spain unveiled CoCoGraph, an AI model that can generate millions of novel, chemically valid molecules for potential use in drug and material discovery. Autonomous ...

Researchers from Cleveland Clinic, RIKEN, and IBM have carried out the largest quantum-classical chemistry ...